%chk=000182879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182879

0 1
O -0.626545 3.176399 0.454852
O 1.480405 1.689029 -1.441788
O 2.157471 -1.530965 -0.097010
O -1.259371 -1.248897 -0.008042
O -3.228082 -0.128172 -0.432213
O 2.336615 -3.031154 1.567988
N -1.255307 0.994084 0.055893
C 0.159852 0.921123 0.512664
C -1.810698 2.391221 0.146498
C 1.074953 0.542671 -0.680987
C 0.398752 2.346315 1.053764
C 2.419460 -0.096831 -0.282427
C -2.823720 2.521125 1.274027
C -2.314969 2.884404 -1.199307
C -2.046108 -0.143818 -0.147127
C 3.024788 0.346327 1.034486
C -1.792688 -2.627675 -0.290194
C 3.079558 -0.687780 1.882421
C 2.518357 -1.901617 1.218216
C -2.240901 -2.664170 -1.742904
C -0.531418 -3.436237 -0.026604
C -2.918302 -2.903222 0.692505
H 0.264209 0.136657 1.307688
H 0.533324 -0.163630 -1.365045
H 0.295024 2.411338 2.148478
H 1.343940 2.808912 0.719299
H 3.143915 -0.030377 -1.129560
H -2.413408 2.204917 2.239428
H -3.150392 3.562127 1.388980
H -3.716463 1.907173 1.075337
H -1.551168 2.808430 -1.981764
H -3.184523 2.292660 -1.528321
H -2.619495 3.937250 -1.144752
H 3.349796 1.366211 1.175068
H 0.717458 2.308237 -1.557825
H 3.455432 -0.739203 2.892147
H -2.576269 -3.665410 -2.034227
H -3.081400 -1.974244 -1.921161
H -1.432426 -2.374010 -2.423976
H -0.301395 -3.524614 1.043231
H 0.356109 -2.957109 -0.477515
H -0.604941 -4.447921 -0.437111
H -2.603844 -2.731129 1.728515
H -3.783622 -2.247051 0.505025
H -3.267564 -3.938873 0.619751


%chk=000182879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182879

0 1
O -0.475661 3.057544 0.471342
O 1.417773 1.904003 -1.286017
O 2.298768 -1.408707 0.136817
O -1.363726 -1.358585 -0.017123
O -3.291060 -0.060101 -0.505666
O 2.963913 -2.656316 2.011256
N -1.258149 0.900451 0.152758
C 0.159713 0.783703 0.586233
C -1.741750 2.326373 0.140879
C 1.103974 0.624624 -0.639679
C 0.326871 2.130798 1.319795
C 2.485612 -0.009227 -0.320985
C -2.802311 2.573626 1.226506
C -2.185238 2.797011 -1.247603
C -2.081929 -0.169700 -0.156217
C 3.308663 0.643218 0.766503
C -2.001250 -2.708008 -0.347846
C 3.585919 -0.262056 1.743646
C 2.967943 -1.574392 1.402124
C -2.385334 -2.725774 -1.840515
C -0.848156 -3.678676 -0.041940
C -3.210144 -2.943703 0.578663
H 0.271938 -0.093216 1.244520
H 0.599442 -0.052827 -1.355890
H -0.079856 2.088932 2.346232
H 1.351504 2.526709 1.331763
H 3.048219 -0.034922 -1.274402
H -2.414256 2.316108 2.227131
H -3.097433 3.636288 1.223665
H -3.689269 1.951244 1.021438
H -1.403754 2.588072 -1.998264
H -3.106200 2.265619 -1.537114
H -2.381543 3.882402 -1.226441
H 3.630752 1.683777 0.700522
H 0.738248 2.582797 -1.003997
H 4.167208 -0.122446 2.654462
H -2.772024 -3.726393 -2.106677
H -3.165101 -1.978343 -2.057295
H -1.500773 -2.522578 -2.470080
H -0.584397 -3.652797 1.029185
H 0.053609 -3.409132 -0.617104
H -1.147243 -4.708914 -0.306093
H -2.908590 -2.846790 1.636745
H -4.019017 -2.227329 0.366179
H -3.591504 -3.969866 0.424986


